3-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one

C17H23N7OS — CID 133325540

IUPAC3-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one
SMILESCc1cc(N2CCC(Nc3nn4cc(C(C)(C)C)nc4s3)C2=O)n(C)n1
InChIInChI=1S/C17H23N7OS/c1-10-8-13(22(5)20-10)23-7-6-11(14(23)25)18-15-21-24-9-12(17(2,3)4)19-16(24)26-15/h8-9,11H,6-7H2,1-5H3,(H,18,21)
InChIKeyXRPKGOFZYWQWPI-UHFFFAOYSA-N
MW373.49 g/mol
LogP2.35
Rot. Bonds3

About 3-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one

3-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one (PubChem CID 133325540) has the molecular formula C17H23N7OS and a molecular weight of 373.49 g/mol. Its IUPAC name is 3-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one
PubChem CID133325540
Molecular FormulaC17H23N7OS
Molecular Weight373.49 g/mol
Exact Mass373.17
IUPAC Name3-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one
SMILESCc1cc(N2CCC(Nc3nn4cc(C(C)(C)C)nc4s3)C2=O)n(C)n1
InChIInChI=1S/C17H23N7OS/c1-10-8-13(22(5)20-10)23-7-6-11(14(23)25)18-15-21-24-9-12(17(2,3)4)19-16(24)26-15/h8-9,11H,6-7H2,1-5H3,(H,18,21)
InChIKeyXRPKGOFZYWQWPI-UHFFFAOYSA-N
XLogP2.35
TPSA80.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.49
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-[[1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carboxylic acid
CID 122048334
1-(2,5-dimethylpyrazol-3-yl)-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-2-one
CID 133325575
(3R)-1-(2,5-dimethylpyrazol-3-yl)-3-[(1-ethylpyrazol-4-yl)amino]pyrrolidin-2-one
CID 99822908
6-tert-butyl-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133336089
3-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one
CID 133402560
1-(2,5-dimethylpyrazol-3-yl)-3-[1-(oxolan-2-yl)ethylamino]pyrrolidin-2-one
CID 75504218
6-tert-butyl-N-[3-(trifluoromethyl)cyclohexyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 75414039
1-(2,5-dimethylpyrazol-3-yl)-3-[[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-2-one
CID 133325622
1-(2,5-dimethylpyrazol-3-yl)-3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]pyrrolidin-2-one
CID 133325552
5-[[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]amino]-3,3-dimethyl-5-oxopentanoic acid
CID 125146648
(3S)-1-(2,5-dimethylpyrazol-3-yl)-3-[[(1R)-1-(3-methylthiophen-2-yl)ethyl]amino]pyrrolidin-2-one
CID 97102106
2-[[1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]amino]-6-fluorobenzonitrile
CID 133325659

Frequently Asked Questions

What is the IUPAC name of 3-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one?
The IUPAC name of 3-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one (CID 133325540) is 3-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one.
What is the SMILES notation for 3-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one?
The canonical SMILES for 3-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one is Cc1cc(N2CCC(Nc3nn4cc(C(C)(C)C)nc4s3)C2=O)n(C)n1.
What is the InChIKey of 3-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one?
The InChIKey is XRPKGOFZYWQWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7OS/c1-10-8-13(22(5)20-10)23-7-6-11(14(23)25)18-15-21-24-9-12(17(2,3)4)19-16(24)26-15/h8-9,11H,6-7H2,1-5H3,(H,18,21).
What are the key properties of 3-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one?
3-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one has a molecular weight of 373.49 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 133325540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).